1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-dimethylaminophenyl)methyl]pyrrole-2-carboxamide

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-dimethylaminophenyl)methyl]pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-dimethylaminophenyl)methyl]pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-[(4-dimethylaminophenyl)methyl]-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-dimethylaminophenyl)methyl]pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[4-(dimethylamino)benzyl]pyrrole-2-carboxamide Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

InChI

InChI=1S/C22H28N6OS/c1-26(2)18-11-9-17(10-12-18)16-23-20(29)19-8-7-15-28(19)22-25-24-21(30-22)27-13-5-3-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,29)